181 results on '"Deng Q"'
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2. (Perfluorosulfonate Ionomer)—(Inorganic Oxide) Nanocomposites
- Author
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Deng, Q., primary, Mauritz, K. A., additional, and Moore, R. B., additional
- Published
- 1995
- Full Text
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3. Regulation of Microlocalization of Antioxidants by Surfactant Micelles in Oil-in-Water Emulsions.
- Author
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Wang X, Chen Y, McClements DJ, Peng D, Chen H, Xu S, Deng Q, and Geng F
- Subjects
- Tocopherols chemistry, Tocopherols metabolism, Polysorbates chemistry, Molecular Dynamics Simulation, Micelles, Emulsions chemistry, Emulsions metabolism, Antioxidants chemistry, Surface-Active Agents chemistry, Surface-Active Agents metabolism, Water chemistry, Water metabolism, Oxidation-Reduction
- Abstract
The mass transport effect of aqueous micelles on antioxidants and oxidation products in emulsions may alter the rate, degree, and pathway of lipid oxidation. In this study, the dynamic mass transport of oxidation products and endogenous tocopherol during storage at different micelle concentrations was monitored by UV-vis spectrophotometry and high-performance liquid chromatography. Furthermore, the microlocalization of tocopherol in micelles was investigated using
1 H nuclear magnetic resonance and nuclear Overhauser effect spectroscopy, fluorescence measurements, and molecular dynamics simulation. It was demonstrated that high-concentration micelles enhanced the emulsion stability by promoting the mass transport of hydroperoxides and endogenous antioxidants. The enhancement of micelles was a superposition effect of concentration, interaction sites, and binding force between tocopherols and Tween 20 molecules. Tween 20 concentration-induced favorable changes of microlocalization of tocopherol and dynamic mass transport demonstrated a new integrated perspective to control lipid oxidation.- Published
- 2024
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4. Black-Phosphorus-Reinforced Injectable Conductive Biodegradable Hydrogel for the Delivery of ADSC-Derived Exosomes to Repair Myocardial Infarction.
- Author
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Wang H, Gui B, Chen Y, Zhong F, Liu Q, Zhang S, Jiang N, Chen W, Xu C, Yang H, Zhou Q, and Deng Q
- Subjects
- Animals, Mice, Electric Conductivity, Dopamine chemistry, Dopamine pharmacology, Male, Rats, Humans, Neovascularization, Physiologic drug effects, Biocompatible Materials chemistry, Biocompatible Materials pharmacology, Adipose Tissue cytology, Rats, Sprague-Dawley, Stem Cells metabolism, Stem Cells cytology, Stem Cells drug effects, Myocardial Infarction drug therapy, Myocardial Infarction pathology, Myocardial Infarction therapy, Exosomes chemistry, Exosomes metabolism, Hydrogels chemistry, Hydrogels pharmacology, Hyaluronic Acid chemistry, Hyaluronic Acid pharmacology, Phosphorus chemistry
- Abstract
Myocardial infarction (MI) remains one of the leading causes of death globally, necessitating innovative therapeutic strategies for effective repair. Conventional treatment methods such as pharmacotherapy, interventional surgery, and cardiac transplantation, while capable of reducing short-term mortality rates, still face significant challenges in post-MI repair including the restoration of intercellular biological and electrical signaling. This study presents a novel exosome-loaded conductive hydrogel designed to enhance myocardial repair by concurrently improving biological and electrical signals. Adipose-derived stem cell (ADSC) exosomes, encapsulated within a hyaluronic acid-dopamine (HA-DA) hydrogel, were employed to promote angiogenesis and inhibit inflammation. Incorporating black phosphorus (BP) into the hydrogel improved its electrical conductivity, thereby restoring electrical signal transmission in the infarcted myocardium and preventing arrhythmias. In vitro and in vivo experiments demonstrated that the exosome-loaded conductive hydrogel significantly enhanced cardiac function recovery by accelerating angiogenesis, reducing inflammation, and increasing electrical activity between myocardial cells. The hydrogel exhibited excellent biocompatibility, biodegradability, and sustained release of exosomes, ensuring prolonged therapeutic effects. This integrated approach resulted in notable improvements in the left ventricular ejection fraction, reduced fibrosis, and increased neovascularization. The combination of bioactive exosomes and a conductive hydrogel presents a promising therapeutic strategy for myocardial infarction repair.
- Published
- 2024
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5. Constructing 2D Porous ZnO Gas Sensors Based on Polyvinylpyrrolidone-Assisted Zn-MOF Nanosheets for NO 2 Detection.
- Author
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Wang S, Zhao Z, Jia L, Guo X, Yang R, Deng Q, and Sun R
- Subjects
- Porosity, Gases analysis, Gases chemistry, Zinc chemistry, Zinc Oxide chemistry, Povidone chemistry, Nanostructures chemistry, Metal-Organic Frameworks chemistry, Nitrogen Dioxide analysis
- Abstract
Two-dimensional (2D) ZnO nanomaterials are promising for gas sensing, because of their large surface area, abundant active sites, and rapid charge transfer. However, it is challenging to prepare 2D ZnO nanosheet gas sensors with high sensing performance, due to the tight interlayer stack and low adsorptive property of ZnO for NO
2 molecules. Herein, we synthesized Zn-MOF nanosheets employing polyvinylpyrrolidone (PVP) as the structure-directing agent, further through pyrolysis of the Zn-MOF to obtain 2D ZnO nanosheet gas sensors. As anticipated, the 2D ZnO gas sensors exhibited high sensitivity and selectivity for NO2 , and the optimal sample could achieve a response value of 162 at the working temperature of 160 °C, which is 10 times higher than that of pristine ZnO. Meanwhile, experimental and DFT results showed that PVP plays critical roles in the lateral lattice growth of 2D Zn-MOF nanosheets, while the existence of PVP makes the ZnO gas sensors with rich porous property and more oxygen vacancy after the pyrolysis process, which promoted the adsorption, activity, and surface reaction for NO2 molecules. It provides a new approach for the application of 2D ZnO nanosheets in the NO2 detection field.- Published
- 2024
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6. Sustainable Nanofluids Constructed from Size-Controlled Lignin Nanoparticles: Application Prospects in Enhanced Oil Recovery.
- Author
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Zhang M, Wen Y, Deng Q, Xue C, Ji D, Gong W, and Li Y
- Abstract
Lignin, a widely available, cost-effective, and structurally stable natural polymer, has recently attracted significant attention due to its diverse potential applications. A promising approach is to prepare lignin nanoparticles (LNPs) as a substitute for conventional nanoparticles to fulfill a variety of functions. In this study, LNPs with controlled size, regular morphology, and excellent dispersibility were synthesized by using industrial alkali lignin. The antisolvent method was employed, utilizing an aqueous solution of the anionic surfactant sodium apolyolefin sulfonate (AOS) as the antisolvent. Subsequently, the prepared LNPs were used to formulate nanofluids in combination with AOS and nonionic surfactant coconut diethanolamide (CDEA). The incorporation of LNPs has significantly enhanced the interfacial activity of the resulting nanofluids, thereby improving their emulsion stabilization, spreading on quartz surfaces, and oil droplet removal capabilities, which establish a strong foundation for the AOS/CDEA/LNPs nanofluid to achieve high performance in enhanced oil recovery (EOR), which was validated through microscopic visual physical model experiments. The quartz crystal microbalance with the dissipation monitoring (QCM-D) technique was employed to investigate the adsorption of surfactants onto quartz surfaces. It was found that the incorporation of LNPs significantly reduces the adsorption loss of surfactants, presenting a potential solution to overcome the challenges associated with surfactant adsorption in chemically enhanced oil recovery (EOR) processes, such as high cost and unreliable efficiency. This study reveals the good performance of LNPs/surfactant nanofluids and provides a potential approach to the advancement of green, sustainable, and intelligent EOR technologies.
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- 2024
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7. Characterizing the Cooperative Effect of PROTAC Systems with End-Point Binding Free Energy Calculation.
- Author
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Xu K, Wang Z, Xiang S, Tang R, Deng Q, Ge J, Jiang Z, Yang K, Hou T, and Sun H
- Subjects
- Ubiquitin-Protein Ligases metabolism, Ubiquitin-Protein Ligases chemistry, Proteins chemistry, Proteins metabolism, Protein Conformation, Thermodynamics, Molecular Dynamics Simulation, Protein Binding, Proteolysis
- Abstract
Proteolytic targeting chimeras (PROTACs), as an emerging type of drug, function by proximity-based modalities that narrow the distance between a target protein and the E3 ubiquitin ligase to facilitate the ubiquitination labeling of the target protein for degradation. Although it is evidenced that the cooperativity of the PROTAC ternary interaction is one of the key factors affecting the degradation rate of a target protein, PROTAC design utilizing this indicator is still challenging because of the complicated/flexible interactions in a target-PROTAC-E3 ternary system. Therefore, developing reliable and practicable computational methods is of great interest for PROTAC design. Hence, in this study, we investigate the feasibility of using the end-point binding free energy calculation method, represented by molecular mechanics/Poisson-Boltzmann (generalized-Born) surface area (MM/PB(GB)SA), for characterizing cooperativity (including the stabilization and hook effects) of the PROTAC systems. The result shows that MM/GBSA is a good predictor in characterizing these effects under a relatively long molecular dynamics adjustment (50-100 ns) and low dielectric constant (ε
in = 1), with the Pearson correlation coefficient ( rp ) > 0.5 and 0.6 for the stabilization and hook effect, respectively. This study provides a feasible strategy for characterizing the cooperativity of the PROTAC systems, facilitating the rational design of PROTAC molecules.- Published
- 2024
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8. Versatile Keratin Fibrous Adsorbents with Rapid-Response Shape-Memory Features for Sustainable Water Remediation.
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Ni R, Zhang L, Ma J, Zhang J, Xu X, Shi H, Deng Q, Hu W, Hu J, Ke Q, and Zhao Y
- Abstract
Biodegradable shape-memory polymers derived from protein substrates are attractive alternatives with strong potential for valorization, although their reconstruction remains a challenge due to the poor processability and inherent instability. Herein, based on Maillard reaction and immobilization, a feather keratin fibrous adsorbent featuring dual-response shape-memory is fabricated by co-spinning with pullulan, heating, and air-assisted spraying ZIF-8-NH
2 . Maillard reaction between the amino group of keratin and the carbonyl group of pullulan improves the mechanics and thermal performance of the adsorbent. ZIF-8-NH2 immobilization endows the adsorbent with outstanding multipollutant removal efficiency (over 90%), water stability, and photocatalytic degradation and sterilization performance. Furthermore, the adsorbent can be folded to 1/12 of its original size to save space for transportation and allow for rapid on-demand unfolding (12 s) upon exposure to water and ultraviolet irradiation to facilitate the adsorption and photocatalytic activity with a larger water contact area. This research provides new insight for further applications of keratin-based materials with rapid shape-memory features.- Published
- 2024
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9. Three-Dimensional Flexible SnO 2 @Hard Carbon@MoS 2 @Soft Carbon Fiber Film Anode toward Ultrafast and Stable Sodium Storage.
- Author
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Zhao Y, Mai G, Mei Z, Deng Q, Feng Z, Tan Y, Li Z, Yao L, and Li M
- Abstract
Developing flexible electrodes for the application in sodium-ion batteries (SIBs) has received great attention and has been still challenging due to their merits of additive-free, lightweight, and high energy density. In this work, a free-standing 3D flexible SIB anode with the composition of SnO
2 @hard carbon@MoS2 @soft carbon is designed and successfully synthesized. This electrode combines the energy storage advantages and hybrid sodium storage mechanisms of each material, manifested in the enhanced flexibility, specific capacity, conductivity, rate, cycling performances, etc. Based on the synergistic effects, it exhibits much higher specific capacity than SnO2 carbon nanofibers, as well as more excellent cycling performance (250 mA h g-1 after 500 cycles at 1 A g-1 ) than MoS2 nanospheres (32 mA h g-1 ). In addition, relevant kinetic mechanisms are also expounded with the aid of theoretical calculation. This work provides a feasible and advantageous strategy for constructing high-performance and flexible energy storage electrodes based on hybrid mechanisms and synergistic effects.- Published
- 2024
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10. Nonvolatile Electro-optic Response of Graphene Driven by Ferroelectric Polarization.
- Author
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Wu J, Jian J, Ma H, Ye Y, Tang B, Qian Z, Deng Q, Sun B, Liu S, Lin H, and Li L
- Abstract
Two-dimensional materials (2DMs) have exhibited remarkably tunable optical characteristics, which have been applied for significant applications in communications, sensing, and computing. However, the reported tunable optical properties of 2DMs are almost volatile, impeding them in the applications of multifarious emerging frameworks such as programmable operation and neuromorphic computing. In this work, nonvolatile electro-optic response is developed by the graphene-Al
2 O3 -In2 Se3 heterostructure integrating with microring resonators (MRRs). In such compact devices, the optical absorption coefficient of graphene is substantially tuned by the out-of-plane ferroelectric polarization in α-In2 Se3 , resulting in a nonvolatile optical transmission in MRRs. This work demonstrates that integrating graphene with ferroelectric materials paves the way to develop nonvolatile devices in photonic circuits for emerging applications such as optical neural networks.- Published
- 2024
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11. Reconfigurable Vertical Phototransistor with MoTe 2 Homojunction for High-Speed Rectifier and Multivalued Logical Circuits.
- Author
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Deng Q, Zhao T, Zhang J, Yue W, Li L, Li S, Zhu L, Sun Y, Pan Y, Zheng T, Liu X, Yan Y, and Huo N
- Abstract
The most reported two-dimensional (2D) reconfigurable multivalued logic (RMVL) devices primarily involve a planar configuration and carrier transport, which limits the high-density circuit integration and high-speed logic operation. In this work, the vertical transistors with reconfigurable MoTe
2 homojunction are developed for low-power, high-speed, multivalued logic circuits. Through top/bottom dual-gate modulation, the transistors can be configured into four modes: P-i-N, N-i-P, P-i-P, and N-i-N. The reconfigurable rectifying and photovoltaic behaviors are observed in P-i-N and N-i-P configurations, exhibiting ideal diode characteristics with a current rectification ratio over 105 and sign-reversible photovoltaic response with a photoswitching ratio up to 7.44 × 105 . Taking advantage of the seamless homogeneous integration and short vertical channel architecture, the transistor can operate as an electrical switch with an ultrafast speed of 680 ns, surpassing the conventional p-n diode. The MoTe2 half-wave rectifier is then applied in high-frequency integrated circuits using both square wave and sinusoidal waveforms. By applying an electrical pulse with a 1/4 phase difference between two input signals, the RMVL circuit has been achieved. This work proposes a universal and reconfigurable vertical transistor, enabled by dual-gate electrostatic doping on top/bottom sides of MoTe2 homojunction, suggesting a high integration device scheme for high-speed RMVL circuits and systems.- Published
- 2024
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12. Dual Modification for Low-Strain Ni-Rich Cathodes Toward Superior Cyclability in Pouch Full Cells.
- Author
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Chu Y, You S, Mu Y, Hu Y, Zhang Q, Zou L, Lai A, Wang H, Deng Q, Peng F, Zhang Q, Gu H, Zeng L, and Yang C
- Abstract
Rapid capacity fading, interfacial instability, and thermal runaway due to oxygen loss are critical obstacles hindering the practical application and commercialization of Ni-rich cathodes (LiNi
0.8 Co0.1 Mn0.1 O2 , NCM811). Herein, a Sn4+ /F- codoping and LiF-coated Ni-rich cathode, denoted as NCM811-SF, is structurally fabricated that demonstrates very high cyclic and thermal stabilities. The introduction of Sn4+ regulates the local electronic structure and facilitates the conversion of the layered structure into a spinel phase; F- captures lithium impurities to form LiF coatings and forms TM-F bonds to reduce Ni/Li disordering. The compositionally complex codoping strategy reduces the internal structure strain, inhibits the Li+ /Ni2+ intermixing during cycling and degradation of the nanoscale structure, and further improves the thermal stability and the crystal structure. The cathodic electrode showed a little volume shift at 2.8-4.5 V, which significantly decreased lattice flaws and fractures generated by local strain, based on detailed analyses performed using COMSOL simulations, X-ray diffraction, and scanning transmission electron microscopy. Benefiting from this, after 300 cycles, our as-prepared NCM811-SF cathode maintains 85.4% of its initial capacity at 4.5 V and has an excellent reversible capacity equal to 169 mAh·g-1 at 1 C. In addition, the NCM811-SF/graphite cell in a pouch-type complete cell retained 94.8% of its starting capacity following 500 cycles. These findings underscore the effectiveness of introducing the Sn-O and TM-F bonds in improving the durability and electrochemical efficiency of the cathode material, which makes it a good choice for high-efficiency Li-ion batteries.- Published
- 2024
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13. RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning.
- Author
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Deng Q, Wang Z, Xiang S, Wang Q, Liu Y, Hou T, and Sun H
- Subjects
- Deep Learning, Histocompatibility Antigens Class I chemistry, Histocompatibility Antigens Class I metabolism, Histocompatibility Antigens Class I immunology, Protein Binding, Algorithms, Peptides chemistry
- Abstract
Major histocompatibility complex (MHC) plays a vital role in presenting epitopes (short peptides from pathogenic proteins) to T-cell receptors (TCRs) to trigger the subsequent immune responses. Vaccine design targeting MHC generally aims to find epitopes with a high binding affinity for MHC presentation. Nevertheless, to find novel epitopes usually requires high-throughput screening of bulk peptide database, which is time-consuming, labor-intensive, more unaffordable, and very expensive. Excitingly, the past several years have witnessed the great success of artificial intelligence (AI) in various fields, such as natural language processing (NLP, e.g., GPT-4), protein structure prediction and engineering (e.g., AlphaFold2), and so on. Therefore, herein, we propose a deep reinforcement-learning (RL)-based generative algorithm, RLpMIEC, to quantitatively design peptide targeting MHC-I systems. Specifically, RLpMIEC combines the energetic spectrum (namely, the molecular interaction energy component, MIEC) based on the peptide-MHC interaction and the sequence information to generate peptides with strong binding affinity and precise MIEC spectra to accelerate the discovery of candidate peptide vaccines. RLpMIEC performs well in all the generative capability evaluations and can generate peptides with strong binding affinities and precise MIECs and, moreover, with high interpretability, demonstrating its powerful capability in participation for accelerating peptide-based vaccine development.
- Published
- 2024
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14. Electrostatic Force-Assisted Transfer of Flexible Silicon Photodetector Focal Plane Arrays for Image Sensors.
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Ye Y, Deng Q, Wu J, Zhong C, Ma H, Shi Y, Li D, Tang R, Tang Y, Jian J, Zhu B, Lin H, and Li L
- Abstract
Flexible photodetectors are pivotal in contemporary optoelectronic technology applications, such as data reception and image sensing, yet their performance and yield are often hindered by the challenge of heterogeneous integration between photoactive materials and flexible substrates. Here, we showcase the potential of an electrostatic force-assisted transfer printing technique for integrating Si PIN photodiodes onto flexible substrates. This clean and dry process eliminates the need for chemical etchants, making it a highly desirable method for manufacturing high-performance flexible photodetector arrays, expanding their widespread applications in electronic eyes, robotics, and human-machine interaction. As a demonstration, a 5 × 5 flexible Si photodetector focal plane array is constructed for imaging sensors and shaped into a convex semicylindrical form to achieve a π field of view with long-term mechanical and thermal stability. Such an approach provides a high yield rate and consistent performance, with the single photodetector demonstrating exceptional characteristics, including a responsivity of 0.61 A/W, a response speed of 39.77 MHz, a linear dynamic range of 108.53 dB, and a specific detectivity of 2.75 × 10
12 Jones at an applied voltage of -3 V at 940 nm.- Published
- 2024
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15. Rebuttal to Correspondence on "First Evidence of Hindered Amine Light Stabilizers As Abundant, Ubiquitous, Emerging Pollutants in Dust and Air Particles: A New Concern for Human Health".
- Author
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Deng Q, He B, Shen M, Ge J, Du B, and Zeng L
- Subjects
- Humans, Amines, Particulate Matter, Dust, Air Pollutants
- Published
- 2024
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16. Structure and Dynamics of Aqueous 2-Aminothiazole/NaCl Electrolytes at Electrified Interfaces.
- Author
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Jeschke S, Eiden P, Deng Q, Cole IS, and Keil P
- Abstract
A computational study was performed to investigate the dynamics of aqueous electrolytes containing organic corrosion inhibitors near electrified interfaces by using the constant-charge model in classical molecular dynamics simulations. The results showed that when inhibitors form films at the interface, the surface charge of the electrode causes displacement of the molecules, referred to as electroporation. The hydrophobicity of the inhibitor molecules affects both the stability of the films and their recovery time. This study highlights the value of computational investigations of the dynamics within inhibitor films as a complementary approach to the traditional focus on inhibitor-substrate interactions, leading to deeper insights into the mechanisms of corrosion inhibition mechanisms.
- Published
- 2024
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17. In Situ Growth of Amorphous MnO 2 on Graphite Felt via Mild Etching Engineering as a Powerful Catalyst for Advanced Vanadium Redox Flow Batteries.
- Author
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Huangyang X, Wang H, Zhou W, Deng Q, Liu Z, Zeng XX, Wu X, and Ling W
- Abstract
Owing to the advantages of low cost, high safety, and a desirable cycling lifetime, vanadium redox flow batteries (VRFBs) have attracted great attention in the large-scale energy storage field. However, graphite felts (GFs), widely used as electrode materials, usually possess an inferior catalytic activity for the redox reaction of vanadium ions, largely limiting the energy efficiency and rate performance of VRFBs. Here, an in situ growth of amorphous MnO
2 on graphite felt (AMO@GF) was designed for application in VRFBs via mild and rapid etching engineering (5 min). After the etching process, the graphite felt fibers showed a porous and defective surface, contributing to abundant active sites toward the redox reaction. In addition, formed amorphous MnO2 can also serve as a powerful catalyst to facilitate the redox couples of VO2+ /VO2 + based on density functional theoretical (DFT) calculations. As a result, the VRFB using AMO@GF displayed an elevated energy efficiency and superior stability after 2400 cycles at 200 mA cm-2 , and the maximum current density can reach 300 mA cm-2 . Such a high-efficiency and convenient design strategy for the electrode material will drive the further development and industrial application of VRFBs and other flow battery systems.- Published
- 2024
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18. Novel Olefin-Linked Covalent Organic Framework with Multifunctional Group Modification for the Fluorescence/Smartphone Detection of Uranyl Ion.
- Author
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Zhen D, Liu C, Deng Q, Li L, Grimes CA, Yang S, Cai Q, and Liu Y
- Abstract
Monitoring and purification of uranium contamination are of great importance for the rational utilization of uranium resources and maintaining the environment. In this work, an olefin-linked covalent organic framework (GC-TFPB) and its amidoxime-modified product (GC-TFPB-AO) are synthesized with 3-cyano-4,6-dimethyl-2-hydroxypyridine (GC) and 1,3,5-tris(4-formylphenyl) benzene (TFPB) by Knoevenagel condensation. GC-TFPB-AO results in specificity for rapid fluorescent/smartphone uranyl ion (UO
2 2+ ) detection based on the synergistic effect of multifunctional groups (amidoxime, pyridine, and hydroxyl groups). GC-TFPB-AO features a rapid and highly sensitive detection and adsorption of UO2 2+ with a detection limit of 21.25 nM. In addition, it has a good recovery (100-111%) for fluorescence detection in real samples, demonstrating an excellent potential of predesigned olefin-linked fluorescent COFs in nuclear contaminated wastewater detection and removal.- Published
- 2024
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19. A β-Carboline Derivate PAD4 Inhibitor Reshapes Neutrophil Phenotype and Improves the Tumor Immune Microenvironment against Triple-Negative Breast Cancer.
- Author
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Zhu D, Lu Y, Yan Z, Deng Q, Hu B, Wang Y, Wang W, Wang Y, and Wang Y
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- Animals, Female, Humans, Mice, Cell Line, Tumor, Cell Proliferation drug effects, Mice, Inbred BALB C, Enzyme Inhibitors pharmacology, Enzyme Inhibitors chemistry, Enzyme Inhibitors chemical synthesis, Enzyme Inhibitors therapeutic use, Phenotype, Structure-Activity Relationship, Triple Negative Breast Neoplasms drug therapy, Triple Negative Breast Neoplasms pathology, Triple Negative Breast Neoplasms immunology, Carbolines pharmacology, Carbolines chemistry, Carbolines therapeutic use, Carbolines chemical synthesis, Protein-Arginine Deiminase Type 4 antagonists & inhibitors, Tumor Microenvironment drug effects, Neutrophils drug effects, Neutrophils metabolism, Neutrophils immunology, Antineoplastic Agents pharmacology, Antineoplastic Agents chemistry, Antineoplastic Agents chemical synthesis, Antineoplastic Agents therapeutic use
- Abstract
Triple-negative breast cancer is a highly aggressive and heterogeneous breast cancer subtype characterized by early metastasis, poor prognosis, and high recurrence. Targeting histone citrullination-mediated chromatin dysregulation to induce epigenetic alterations shows great promise in TNBC therapy. We report the synthesis, optimization, and evaluation of a novel series of β-carboline-derived peptidyl arginine deiminase 4 inhibitors that exhibited potent inhibition of TNBC cell proliferation. The most outstanding PAD4 inhibitor, compound 28 , hindered the PAD4-H3cit-NET signaling pathway and inhibited the growth of solid tumors and pulmonary metastatic nodules in the 4T1 in situ mouse model. Furthermore, 28 improved the tumor immune microenvironment by reshaping neutrophil phenotype, upregulating the proportions of dendritic cells and M1 macrophages, and reducing the amount of myeloid-derived suppressor cells. In conclusion, our work offered 28 as an efficacious PAD4 inhibitor that exerts a combination of conventional chemotherapy and immune-boosting effects, which represents a potential therapy strategy for TNBC.
- Published
- 2024
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20. Ubiquity of Synthetic Phenolic Antioxidants in Children's Cerebrospinal Fluid from South China: First Evidence for Their Penetration across the Blood-Cerebrospinal Fluid Barrier.
- Author
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Du B, Deng Q, Luo D, Chen H, Wu W, Liang B, Zhu H, and Zeng L
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- Humans, China, Child, Male, Female, Adolescent, Antioxidants, Phenols cerebrospinal fluid, Blood-Brain Barrier metabolism
- Abstract
Synthetic phenolic antioxidants (SPAs) and relevant transformation products (TPs) are potentially neurotoxic pollutants to which humans are widely exposed. However, their penetration behavior across the brain barrier and associated exposure to the central nervous system (CNS) remain unknown. This study is the first to investigate a wide range of 30 SPAs and TPs, including emerging SPAs, in matched serum and cerebrospinal fluid (CSF) samples from children in Guangzhou, China. Sixty-two children of either sex aged <14 years with nonbloody CSF and complete clinical information were included. The findings demonstrated the ubiquitous occurrence of many SPAs and TPs, particularly BHT, 2,4-di- tert -butylphenol (DBP), AO 1010, AO 1076, BHT-Q, and BHT-quinol, not only in serum but also in the CSF. Median total concentrations of SPAs and TPs were up to 22.0 and 2.63 ng/mL in serum and 14.5 and 2.11 ng/mL in CSF, respectively. On calculating the penetration efficiencies across the blood-CSF barrier (BCSFB) ( R
CSF/serum , CCSF / Cserum) for selected SPAs and TPs, their RCSF/serum values (median 0.52-1.41) were highly related to their physicochemical properties, indicating that passive diffusion may be the potential mechanism of BCSFB penetration. In addition, the RCSF/serum values were positively correlated with the barrier permeability index RAlb (AlbuminCSF /Albuminserum ), indicating that barrier integrity is an important determinant of BCSFB penetration. Overall, these results will improve our perception of human internal exposure to SPAs and lay a solid foundation for assessing the risk of CNS exposure to various SPAs.- Published
- 2024
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21. Selenadiazole-Induced Hela Cell Apoptosis through the Redox Oxygen Species-Mediated JAK2/STAT3 Signaling Pathway.
- Author
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Yuan Y, Li Y, Deng Q, Yang J, and Zhang J
- Abstract
Cervical cancer is a significant global health concern, and novel therapeutic strategies are continually being sought to combat this disease. In recent years, selenadiazole found latent therapeutic effects on tumors. Herein, investigating the mechanism of selenadiazole in Hela cells holds promise for advancing cervical cancer treatment. Hela cells, a widely utilized model for studying cervical cancer, were treated with selenadiazole, and cell viability was assessed by using the cell counting kit-8 (CCK-8) assay. Changes in mitochondrial membrane potential were evaluated using JC-1 staining, while apoptosis induction was examined using AnnexinV-PI double staining. Intracellular ROS levels were measured by using specific fluorescent probes and the ELIASA system. Additionally, Western blotting was performed to assess the activation of related proteins in response to selenadiazole. Data analysis was performed using GraphPad. Exposure to selenadiazole led to a substantial increase in intracellular redox oxygen species (ROS) levels in Hela cells. Importantly, the induction of ROS by selenadiazole was associated with a marked increase in mitochondrial apoptosis, as evidenced by elevated levels of AnnexinV-positive cells, the JC-1 monomer, caspase-9, and Bcl-2. Furthermore, activation of the JAK2/STAT3 pathway was observed following the selenadiazole treatment. Selenadiazole holds the potential to suppress tumor growth in cervical cancer cells by increasing reactive oxygen species (ROS) levels and inducing mitochondrial apoptosis via the JAK2/STAT3 pathway. This study offers valuable insights into potential cervical cancer therapies and underscores the need for further research into the specific mechanisms of selenadiazole., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)
- Published
- 2024
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22. One-Stone-for-Two-Birds Strategy for VSe 2 to Enable High Capacity and Long-Life Zinc Storage.
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Liu Q, Yang K, Wang Z, Chen S, Zhang W, Ma H, Geng X, Deng Q, Zhao Q, and Zhu N
- Abstract
Based on a specific zinc storage mechanism and excellent electronic conductivity, transition metal dichalcogenides, represented by vanadium diselenide, are widely used in aqueous zinc-ion battery (AZIB) energy storage systems. However, most vanadium diselenide cathode materials are presently limited by low specific capacity and poor cycling life. Herein, a simple hydrothermal process has been proposed for obtaining a vanadium diselenide cathode for an AZIB. The interaction of defects and crystal planes enhances zinc storage capacity and reduces the migration energy barrier. Moreover, abundant lamellar structure greatly increases reaction sites and alleviates volume expansion during the electrochemical process. Thus, the as-obtained vanadium diselenide AZIB exhibits an excellent reversible specific capacity of 377 mAh g
-1 at 1 A g-1 , and ultralong cycle stability of 291 mAh g-1 after 3200 cycles, with a nearly negligible capacity loss. This one-stone-for-two-birds strategy would be expected to be applied to large-scale synthesis of a high-performance zinc-ion battery cathode in the future.- Published
- 2024
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23. Numerical Investigation of Tree-Type Hydraulic Fracturing for Balanced Permeability Enhancement of Heterogenous Coal Seams Based on the Finite-Discrete Element Method Model.
- Author
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Fu W, Deng Q, Ge Z, Jia Y, Ma Z, Shang C, Zheng J, and Hou Y
- Abstract
Tree-type hydraulic fracturing (TTHF) is a new technology that can enhance the permeability of coal seams in a balanced manner and increase the coalbed methane production rate. However, the heterogeneity of coal seams is a major challenge in achieving balanced permeability enhancement by TTHF. Traditional methods based on digital image processing are difficult to apply in practice. To address these challenges, we proposed a 2D numerical model of coal seams based on the combined finite-discrete element method (FDEM). The elastic modulus of the coal seams obeys a Weibull distribution, and the coal heterogeneity was quantified by an index m . The effects on the fracture initiation pressure, the fracturing influence range, and displacements of TTHF were analyzed from four aspects, including the homogeneity index of coal, the arrangement angle of branch boreholes, the horizontal stress difference, and the injection rate of the fracturing fluid. The results show that TTHF has a significant effect on the balanced permeability enhancement in coal reservoirs, particularly with strong heterogeneity, and the best permeability enhancement for TTHF is achieved when the branch boreholes are arranged at 45°. The branch boreholes are prefabricated in advance to create a pressure relief area around the injection point, and the hydraulic fracture propagation is affected by the horizontal stress difference only when the fracturing influence range exceeds this area. When the horizontal stress difference increases from 0 to 4 MPa, its fracture initiation pressure increases from 8.93 to 10.86 MPa, with an increase of 21.61%. In addition, the initial stage of fluid injection was found to be crucial for achieving balanced permeability enhancement in TTHF, and a higher injection rate can expand the fracturing influence range. The numerical model has profound implications for the field application of TTHF technology., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)
- Published
- 2024
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24. Comprehensive Identification and Ubiquitous Occurrence of Eight Classes of Rubber-Derived Vulcanization Accelerators in Urban Dusts.
- Author
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Ge J, Hou X, Liu L, Deng Q, Du B, and Zeng L
- Subjects
- Environmental Exposure analysis, Thiram, Thiazoles, China, Environmental Monitoring, Dust analysis, Insecticides
- Abstract
Vulcanization accelerators (VAs) serve as crucial additives in synthetic rubber on a global scale. Despite their widespread use, the environmental presence, distribution, and associated exposure risks of VAs remain poorly understood. This study compiled a target list and conducted a screening for eight classes encompassing 42 VAs in diverse urban dust samples from South China. A total of 40 of the 42 target VAs were detectable across all four studied regions, among which 30 were identified for the first time in the environment. Among the eight structure-classified VA classes, xanthates exhibited the highest concentrations (median: 3810-81,300 ng/g), followed by thiazoles, guanidines, sulfenamides, dithiocarbamates, thiurams, thioureas, and others. The median total concentrations of all target VAs (∑VAs) were determined to be 5060 ng/g in road dust, 5730 ng/g in parking lot dust, 29,200 ng/g in vehicle repair plant dust, and 84,300 ng/g in household dust, indicating the widespread presence of numerous rubber-derived VAs in various urban environments. This study marked the first systematic effort to identify a wide range of emerging rubber-derived VAs prevalent in urban environments. The findings call for increased attention to these widely utilized but less well-evaluated chemicals in future research and environmental management efforts.
- Published
- 2024
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25. Airflow Triggered Water Film Self-Sculpturing on Femtosecond Laser-Induced Heterogeneously Wetted Micro/Nanostructured Surfaces.
- Author
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Yang P, Yin K, Song X, Wang L, Deng Q, Pei J, He Y, and Arnusch CJ
- Abstract
Liquid manipulation is essential for daily life and modern industry, and it is widely used in various fields, including seawater desalination, microfluidic robots, and biomedical engineering. Nevertheless, the current research focuses on the manipulation of individual droplets. There are a few projects for water film management. Here, we proposed a facile method of wind-triggered water film self-sculpturing based on a heterogeneous wettability surface, which is achieved by the femtosecond laser direct writing technology and femtosecond laser deposition. Under the conditions of various airflow velocities and water film thicknesses, three distinct behaviors of the water film were analyzed. As a result, when the water film thickness is lower than 4.9 mm, the self-sculpture process will occur until the whole superhydrophobic surface dewetting. Four potential applications are demonstrated, including encryption, oil containers, reconfigurable patterning, and self-splitting devices. This work provides a new approach for manipulating a water film of fluid control engineering.
- Published
- 2024
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26. Silk Protein-Based Nanoporous Microsphere for Controllable Drug Delivery through Self-Assembly in Ionic Liquid System.
- Author
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Deng Q, Lin P, Gu H, Zhuang X, and Wang F
- Subjects
- Silk chemistry, Microspheres, Drug Delivery Systems, Lactic Acid chemistry, Microscopy, Electron, Scanning, Spectroscopy, Fourier Transform Infrared, Ionic Liquids, Nanopores
- Abstract
Ionic liquids (ILs) showed a promising application prospect in the field of biomedicine due to their unique recyclability, modifiability, and structure adjustability. In this study, nanoporous microsphere of silk protein and blending with poly(d,l-lactic acid) as model drug delivery was fabricated, respectively, through an IL-induced self-assembly method. Their morphology, structure, and thermal properties were comparably investigated through scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, differential scanning calorimetry, X-ray diffraction, and thermogravimetric analyses, and the interaction mechanisms were also discussed to elucidate the effect of structure on drug delivery kinetics. The pure protein exhibited a bigger nanopore size in the microsphere compared to the composite one, facilitating more effective drug loading up to 88.7%. However, drug release was over 53.5% for the composite during initial 4 h, while pure protein was only about half of the composite. Both of them exhibited sustained slow release after 24 h and anticancer efficacy. Furthermore, the favorable compatibility between drug and microsphere vehicle was found and experienced improved thermal stability upon encapsulation, which could protect the drug molecules in high temperature at 200 °C. When the protein and its composite self-assembled to microspheres in ILs due to electrostatic and hydrophobic interaction, the drug could be infiltrated into the nanoporous matrix through biophysical action, and the protein structure displayed reversible transition during delivery. The sustained slow release from pure SF was attributed to the high β-sheet block action and strong drug-protein interactions, whose strength could be tuned through blending poly(d,l-lactic acid) with protein. These findings indicated that the SF-based nanoporous microspheres formed from IL self-assembled system are an ideal and potential drug delivery vehicle which can be incorporated into various biomaterials in the future.
- Published
- 2024
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27. Fluorescent Probe for Investigating the Mitochondrial Viscosity and Hydrogen Peroxide Changes in Cerebral Ischemia/Reperfusion Injury.
- Author
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Fang C, Deng Q, Zhao K, Zhou Z, Zhu X, Liu F, Yin P, Liu M, Li H, Zhang Y, and Yao S
- Subjects
- Humans, Hydrogen Peroxide, Fluorescent Dyes, Viscosity, Mitochondria, Brain Ischemia, Reperfusion Injury
- Abstract
Cerebral ischemia-reperfusion injury (CIRI), a cause of cerebral dysfunction during cerebral infarction treatment, is closely associated with mitochondrial viscosity and hydrogen peroxide (H
2 O2 ). However, the accurate measurement of mitochondrial viscosity and H2 O2 levels in CIRI is challenging because of the lack of sufficient selectivity and blood-brain barrier (BBB) penetration of existing monitoring tools related to CIRI, hampering the exploration of the role of mitochondrial viscosity and H2 O2 in CIRI. To address this issue, we designed an activatable fluorescent probe, mitochondria-targeting styryl-quinolin-ium ( Mito-IQS ), with excellent properties including high selectivity, mitochondrial targeting, and BBB penetration, for the visualization of mitochondrial viscosity and H2 O2 in the brain. Based on the real-time monitoring capabilities of the probe, bursts of mitochondrial viscosity and H2 O2 levels were visualized during CIRI. This probe can be used to monitor the therapeutic effects of butylphthalein treatment. More importantly, in vivo experiments further confirmed that CIRI was closely associated with the mitochondrial viscosity and H2 O2 levels. This discovery provides new insights and tools for the study of CIRI and is expected to accelerate the process of CIRI diagnosis, treatment, and drug design.- Published
- 2024
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28. Hollow Hierarchical Porous and Antihydrolytic Spherical Zeolitic Imidazolate Frameworks for Enzyme Encapsulation and Biocatalysis.
- Author
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Zhao B, Yang H, Mao J, Zhou Q, Deng Q, Zheng L, and Shi J
- Subjects
- Biocatalysis, Porosity, Enzymes, Immobilized chemistry, Catalysis, Zeolites chemistry, Metal-Organic Frameworks chemistry
- Abstract
The creation of a new metal-organic framework (MOF) with a hollow hierarchical porous structure has gained significant attention in the realm of enzyme immobilization. The present work employed a novel, facile, and effective combinatorial technique to synthesize modified MOF (N-PVP/HZIF-8) with a hierarchically porous core-shell structure, allowing for the preservation of the structural integrity of the encapsulated enzyme molecules. Scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, confocal laser scanning microscopy, and other characterization tools were used to fully explore the changes of morphological structure and surface properties in different stages of the preparation of immobilization enzyme CRL-N-PVP/HZIF-8, thus showing the superiority of N-PVP/HZIF-8 as an enzyme immobilization platform and the logic of the immobilization process on the carrier. Additionally, the maximum enzyme loading was 216.3 mg mL
-1 , the relative activity of CRL-N-PVP/HZIF-8 increased by 15 times compared with the CRL@ZIF-8 immobilized in situ , and exhibited quite good thermal, chemical, and operational stability. With a maximal conversion of 88.8%, CRL-N-PVP/HZIF-8 demonstrated good catalytic performance in the biosynthesis of phytosterol esters as a proof of concept. It is anticipated that this work will offer fresh concepts from several perspectives for the creation of MOF-based immobilized enzymes for biotechnological uses.- Published
- 2024
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29. Promoted Na Solubility and Modified Band Structure for Achieving Exceptional Average ZT by Extra Mn Doping in PbTe.
- Author
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An X, Tian B, Deng Q, Ma H, Yuan W, He Z, Li R, Tan X, Sun Q, and Ang R
- Abstract
Na doping strategy provides an effective avenue to upgrade the thermoelectric performance of PbTe-based materials by optimizing electrical properties. However, the limited solubility of Na inherently restricts the efficiency of doping, resulting in a relatively low average ZT , which poses challenges for the development and application of subsequent devices. Herein, to address this issue, the introduced spontaneous Pb vacancies and additional Mn doping synergistically promote Na solubility with a further modified valence band structure. Furthermore, the induced massive point defects and multiscale microstructure greatly strengthen the scattering of phonons over a wide frequency range, leading to a remarkable ultralow lattice thermal conductivity of ∼0.42 W m
-1 K-1 . As a result, benefiting from the significantly enhanced Seebeck coefficient and superior thermal transports, a high peak ZT of ∼2.1 at 773 K and an excellent average ZT of ∼1.4 between 303 and 823 K are simultaneously achieved in Pb0.93 Na0.04 Mn0.02 Te. This work proposes a simple and constructive method to obtain high-performance PbTe-based materials and is promising for the development of thermoelectric power generation devices.- Published
- 2024
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30. Subcellular Nanobionic Liposome with High Zeta Potential Enhances Intravesical Adhesion and Drug Delivery.
- Author
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Du H, Yin H, Qin Y, Min Y, Deng Q, Tan J, Li G, Li N, Zhu C, and Xu Y
- Subjects
- Drug Delivery Systems, Drug Carriers, Liposomes, Chitosan
- Abstract
The administration of drugs resident to counteract fluid washout has received considerable attention. However, the fabrication of a biocompatible system with adequate adhesion and tissue penetration capability remains challenging. This study presents a cell membrane-inspired carrier at the subcellular scale that facilitates interfacial adhesion and tissue penetration to improve drug delivery efficiency. Both chitosan oligosaccharide (COS) and oleic acid (OA) modified membranes exhibit a high affinity for interacting with the negatively charged glycosaminoglycan layer, demonstrating that the zeta potential of the carrier is the key to determining spontaneous penetration and accumulation within the bladder tissue. In vivo modeling has shown that a high surface charge significantly improves the retention of the drug carrier in the presence of urine washout. Possibly due to charge distribution, electric field gradients, and lipid membrane softening, the high positive surface charge enabled the carriers to penetrate the urinary bladder barrier and/or enter the cell interior. Overall, this study represents a practical and effective delivery strategy for tissue binders.
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- 2024
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31. First Evidence of Hindered Amine Light Stabilizers As Abundant, Ubiquitous, Emerging Pollutants in Dust and Air Particles: A New Concern for Human Health.
- Author
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Deng Q, He B, Shen M, Ge J, Du B, and Zeng L
- Subjects
- Humans, Dust analysis, Environmental Monitoring, Polymers, Environmental Exposure, Environmental Pollutants, Air Pollution, Indoor analysis, Air Pollutants analysis
- Abstract
Hindered amine light stabilizers (HALSs) represent a crucial class of polymer additives that are extensively used in plastics and other polymeric materials. However, their environmental presence and related exposure risks have until now remained unexplored. This study addressed this critical knowledge by examining dust and air particles collected in South China, utilizing a comprehensive analytical approach to identify and quantify nine monomeric HALSs. A total of seven of the nine studied HALSs were detected in the samples, with bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate (Tinuvin 770) and methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate (HS-508) identified as the most abundant and widespread pollutants. Median total concentrations of HALSs ranged from 417 to 8,830 ng/g in urban dust samples and from 28.6 to 70.9 pg/m
3 in urban air particles. Notably, dust concentrations of HALSs significantly exceeded those of traditional well-known light stabilizers such as UV absorbers. Human exposure assessment indicated that in contrast to air inhalation dust ingestion represented a more substantial exposure pathway owing to the relatively low volatility of these newly identified chemicals. Predictive modeling suggests that many of the examined HALSs exhibited characteristics of persistence, high toxicity, or strong potential for long-range transport, underscoring their hazardous nature. This study represents the first comprehensive investigation into the prevalence of HALSs as a class of emerging pollutants widespread in the environment, necessitating heightened attention and further research in the future.- Published
- 2024
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32. Carbonized Polymer Dots/Bi/β-Bi 2 O 3 for Efficient Photosynthesis of H 2 O 2 via Redox Dual Pathways.
- Author
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Guan Y, Deng Q, Wang J, Wang S, Li Z, He H, Yan S, and Zou Z
- Abstract
A novel heterojunction photocatalyst of carbonized polymer dots (CPDs)/Bi/β-Bi
2 O3 is successfully synthesized via a one-pot solvothermal method by adjusting the reaction temperature and time. As a solvent and carbon source, ethylene glycol not only supports the conversion of Bi3+ to β-Bi2 O3 but also undergoes its polymerization, cross-linking, and carbonization to produce CPDs. In addition, partial Bi3+ is reduced to Bi by ethylene glycol. As a result, the CPDs and Bi are deposited in situ on the surface of β-Bi2 O3 microspheres. There are four built-in electric fields in the CPDs/Bi/β-Bi2 O3 system, namely, the n-type semiconductor β-Bi2 O3 /H2 O interface, the p-type CPDs/H2 O interface, the ohmic contact between Bi and β-Bi2 O3 , and the Schottky junction between Bi and CPDs. Under the action of four built-in electric fields, the Z-type charge separation mechanism is formed. It promotes the effective separation of the photogenerated electron-hole and greatly improves the yield of H2 O2 . Under irradiation for 2 h, the H2 O2 production is 1590 μmol g-1 h-1 . The solar energy to H2 O2 conversion efficiency is 0.11%.- Published
- 2023
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33. Exhaustively Exploring the Prevalent Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Farnesoid X Receptor via Combined Enhanced Sampling.
- Author
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Xiang S, Wang Z, Tang R, Wang L, Wang Q, Yu Y, Deng Q, Hou T, Hao H, and Sun H
- Subjects
- Ligands, Protein Binding, Thermodynamics, Receptors, Cytoplasmic and Nuclear, Molecular Dynamics Simulation
- Abstract
It is well-known that the potency of a drug is heavily associated with its kinetic and thermodynamic properties with the target. Nuclear receptors (NRs), as an important target family, play important roles in regulating a variety of physiological processes in vivo . However, it is hard to understand the drug-NR interaction process because of the closed structure of the ligand-binding domain (LBD) of the NR proteins, which apparently hinders the rational design of drugs with controllable kinetic properties. Therefore, understanding the underlying mechanism of the ligand-NR interaction process seems necessary to help NR drug design. However, it is usually difficult for experimental approaches to interpret the kinetic process of drug-target interactions. Therefore, in silico methods were utilized to explore the optimal binding/dissociation pathways of the NR ligands. Specifically, farnesoid X receptor (FXR) is considered here as the target system since it has been an important target for the treatment of bile acid metabolism-associated diseases, and a series of structures cocrystallized with diverse scaffold ligands were resolved. By using random acceleration molecular dynamics (RAMD) simulation and umbrella sampling (US), 5 main dissociation pathways (pathways I-V) were identified in 11 representative FXR ligands, with most of them (9/11) preferring to go through Pathway III and the remaining two favoring escaping from Pathway I and IV. Furthermore, key residues functioning in the three main dissociation pathways were revealed by the kinetic residue energy analysis (KREA) based on the US trajectories, which may serve as road-marker residues for rapid identification of the (un)binding pathways of FXR ligands. Moreover, the preferred pathways explored by RAMD simulations are in good agreement with the minimum free energy path identified by the US simulations with the Pearson R = 0.76 between the predicted binding affinity and the experimental data, suggesting that RAMD is suitable for applying in large-scale (un)binding-pathway exploration in the case of ligands with obscure binding tunnels to the target.
- Published
- 2023
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34. l-Glutamate Seed Priming Enhances 2-Acetyl-1-pyrroline Formation in Fragrant Rice Seedlings in Response to Arsenite Stress.
- Author
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Huang S, Deng Q, Zhao Y, Chen G, Geng A, and Wang X
- Subjects
- Glutamic Acid metabolism, Seedlings genetics, Seedlings metabolism, Odorants, Seeds metabolism, Proline metabolism, Glutathione metabolism, Oryza chemistry, Arsenites metabolism
- Abstract
2-Acetyl-1-pyrroline (2-AP) is a fragrance compound and flavor in fragrant rice whose precursors are generally glutamate (Glu) and proline (Pro). Our previous study revealed that exogenous Glu enhanced the arsenic (As) tolerance in fragrant rice by improving the ascorbic acid-glutathione cycle and the Pro content in roots. However, less is known about how Glu is involved in 2-AP biosynthesis in fragrant rice under As stress. Herein, a hydroponic experiment of L-Glu seed priming with 0, 100, and 500 μM l-glutamic acid solutions was conducted with two fragrant rice varieties. After that, the 10-day-old seedlings were cultured under 0 and 100 μM arsenite stress for 10 d. Results showed that the 2-AP and Pro contents were increased by 18-30% and 21-78% under As100 μM-Glu100 μM treatment in comparison to the control As100 μM to Glu0 μM, while the activities of pyrroline-5-carboxylate synthetase (P5CS) and proline dehydrogenase (ProDH) were increased by 19-46% and 3-19%, respectively. Furthermore, the 2-AP, Pro contents, and P5CS activity were correlated positively. Correspondingly, a significant abundance of differential expressed metabolites (18) and differential expressed genes (26) was observed in amino acid metabolism and glutathione metabolism pathways. In addition, several essential genes were verified and grouped into the pathways of glutathione metabolism, proline, and arginine metabolism with antioxidant defense system to comodulate 2-AP biosynthesis and stress detoxification. Therefore, the Glu seed priming treatment had a positive impact on the 2-AP biosynthesis of fragrant rice under 100 μM arsenite toxicity.
- Published
- 2023
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35. In Situ Self-Fluorescence 3D Imaging of Micro/Nano Damage in Silicone Gel for Understanding Insulation Failure under High-Frequency Electric Fields.
- Author
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Tang X, Sima W, Sun P, Zun C, Yuan T, Yang M, Shi Z, Yang H, and Deng Q
- Abstract
Strong electromagnetic and heat flux stresses can induce severe damage to solid insulation materials, leading to faults in power equipment and power electronics devices. However, in the absence of suitable in situ imaging methods for observing the development and morphology of electrical damage within insulation materials, the mechanism of insulation failure under high-frequency electric fields has remained elusive. In this work, a recently discovered fluorescence self-excitation phenomenon in electrical damage channels of polymers is used as the basis for a laser confocal imaging method that is able to realize three-dimensional (3D) in situ imaging of electrical tree channels in silicone gel through nondestructive means. Based on the reconstructed morphology of the damaged area, a spatial equivalent calculation model is proposed for analysis of the 3D geometric features of electrical trees. The insulation failure mechanism of silicone gel under electric fields of different frequencies is analyzed through ReaxFF molecular dynamics simulations of the thermal cracking process. This work provides a new method for in situ nondestructive 3D imaging of micro/nanoscale damage structures within polymers with potential applications to material analysis and defect diagnosis.
- Published
- 2023
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36. Synergy Effect of the Enhanced Local Electric Field and Built-In Electric Field of CoS/Mo-Doped BiVO 4 for Photoelectrochemical Water Oxidation.
- Author
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Guan Y, Gu X, Deng Q, Wang S, Li Z, Yan S, and Zou Z
- Abstract
Bismuth vanadate is a promising material for photoelectrochemical water oxidation. However, it suffers from a low quantum efficiency, poor stability, and slow water oxidation kinetics. Here, we developed a novel photoanode of CoS/Mo-BiVO
4 with excellent photoelectrochemical water oxidation performance. It achieved a photocurrent density of 4.5 mA cm-2 at 1.23 V versus the reversible hydrogen electrode, ∼4 times that of BiVO4 . The CoS/Mo-BiVO4 photoanode also exhibited good stability, and the photocurrent density generated by the CoS/Mo-BiVO4 photoanode did not significantly decrease after light irradiation for 2 h. Upon replacement of part of the V with Mo doping in BiVO4 , the local electric field around the Mo-O bond was enhanced, thus promoting carrier separation in BiVO4 . The CoS was deposited on the surface of Mo-BiVO4 , forming a built-in electric field at the interface. Under the action of the bias electric field and the built-in electric field, the carriers of CoS/Mo-BiVO4 were efficiently separated in the direction of the inverse type II heterojunction. In addition, CoS improved the light absorption and charge injection efficiency of the CoS/Mo-BiVO4 photoanode.- Published
- 2023
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37. Development of a Ratiometric Fluorescent Probe with Zero Cross-Talk for the Detection of SO 2 Derivatives in Foods and Live Cells.
- Author
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Peng H, Kong S, Deng X, Deng Q, Qi F, Liu C, and Tang R
- Abstract
Sulfur dioxide (SO
2 ) derivatives are extensively utilized as both a preservative for foods and an active gaseous signal molecule in various physiological and pathological processes, but their excessive intake would bring harmful effects on human health; so, the determination of SO2 derivatives is of great importance. Herein, we developed a ratiometric fluorescent probe named 2-(2'-hydroxyphenyl)benzothiazole-3-ethyl-1,1,2-trimethyl-1 H -benzo[ e ]indolium (HBT-EMBI) by introducing a hemicyanine unit of EMBI to an HBT group for the detection of SO2 derivatives via an excited-state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT) effects. The probe displays some advantages, such as a colorimetric change from purple to colorless, a ratiometric fluorescence with zero cross-talk, and a remarkably large emission shift (Δλ = 164 nm) under a single-wavelength excitation. Accordingly, the probe HBT-EMBI has been successfully employed for the colorimetric and ratiometric determination of SO2 derivatives in real food samples and the quantitative visualization of SO2 derivative variations in HepG2 cells.- Published
- 2023
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38. Using Mercury Stable Isotopes to Quantify Bidirectional Water-Atmosphere Hg(0) Exchange Fluxes and Explore Controlling Factors.
- Author
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Zhang H, Fu X, Wu X, Deng Q, Tang K, Zhang L, Sommar J, Sun G, and Feng X
- Subjects
- Mercury Isotopes, Isotopes, Atmosphere chemistry, Environmental Monitoring, Water, Mercury analysis
- Abstract
In this study, exchange fluxes and Hg isotope fractionation during water-atmosphere Hg(0) exchange were investigated at three lakes in China. Water-atmosphere exchange was overall characterized by net Hg(0) emissions, with lake-specific mean exchange fluxes ranging from 0.9 to 1.8 ng m
-2 h-1 , which produced negative δ202 Hg (mean: -1.61 to -0.03‰) and Δ199 Hg (-0.34 to -0.16‰) values. Emission-controlled experiments conducted using Hg-free air over the water surface at Hongfeng lake (HFL) showed negative δ202 Hg and Δ199 Hg in Hg(0) emitted from water, and similar values were observed between daytime (mean δ202 Hg: -0.95‰, Δ199 Hg: -0.25‰) and nighttime (δ202 Hg: -1.00‰, Δ199 Hg: -0.26‰). Results of the Hg isotope suggest that Hg(0) emission from water is mainly controlled by photochemical Hg(0) production in water. Deposition-controlled experiments at HFL showed that heavier Hg(0) isotopes (mean ε202 Hg: -0.38‰) preferentially deposited to water, likely indicating an important role of aqueous Hg(0) oxidation played during the deposition process. A Δ200 Hg mixing model showed that lake-specific mean emission fluxes from water surfaces were 2.1-4.1 ng m-2 h-1 and deposition fluxes to water surfaces were 1.2-2.3 ng m-2 h-1 at the three lakes. Results from the this study indicate that atmospheric Hg(0) deposition to water surfaces indeed plays an important role in Hg cycling between atmosphere and water bodies.- Published
- 2023
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39. Role of a 3D Nanoskeleton in Hindering Electrical Tree Growth in Nanocomposites: Insights from in Situ Self-Fluorescence Imaging.
- Author
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Sima W, Tang X, Sun P, Yang M, Yuan T, Shi Z, Yang H, and Deng Q
- Abstract
Despite the proposal of nanodielectrics in 1994, the impact of nano- and microstructures on composite performance is still not completely understood. A key reason for this knowledge gap is the lack of in situ characterization of micro- and nanoscale structures within materials. In this study, we observed the self-excited fluorescence of a microscale-damaged microchannel inside a composite under the influence of an electric field. Furthermore, we conducted in situ imaging of the internal microstructures and discharge channels in the composite utilizing external laser excitation. The imaging results reveal that the electrical treelike damage in the composites grows with a single channel under the guidance of the nanoskeleton embedded in the matrix, which demonstrates that the three-dimensional (3D) nano-order skeleton hinders the development of electrical trees. Furthermore, we analyzed the nanoskeleton intervention's enhancement mechanism on the insulation properties of the composites. This work aids in the precision imaging-guided structural design of nanodielectrics.
- Published
- 2023
- Full Text
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40. In Situ Buildup of Zinc Anode Protection Films with Natural Protein Additives for High-Performance Zinc Battery Cycling.
- Author
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Zhang X, Liao T, Long T, Cao YK, Zeng XX, Deng Q, Liu B, Wu XW, and Wu YP
- Subjects
- Oxides, Ovalbumin, Electrodes, Zinc, Manganese Compounds
- Abstract
The uncontrolled growth of dendrites and serious side reactions, such as hydrogen evolution and corrosion, significantly hinder the industrial application and development of aqueous zinc-ion batteries (ZIBs). This article presents ovalbumin (OVA) as a multifunctional electrolyte additive for aqueous ZIBs. Experimental characterizations and theoretical calculations reveal that the OVA additive can replace the solvated sheath of recombinant hydrated Zn
2+ through the coordination water, preferentially adsorb on the surface of the Zn anode, and construct a high-quality self-healing protective film. Notably, the OVA-based protective film with strong Zn2+ affinity will promote uniform Zn deposition and inhibit side reactions. As a result, Zn||Zn symmetrical batteries in ZnSO4 electrolytes containing OVA achieve a cycle life exceeding 2200 h. Zn||Cu batteries and Zn||MnO2 (2 A g-1 ) full batteries show excellent cycling stability for 2500 cycles, demonstrating promising application prospects. This study provides insights into utilizing natural protein molecules to modulate the kinetics of Zn2+ diffusion and enhance the stability of the anode interface.- Published
- 2023
- Full Text
- View/download PDF
41. Interfacial Affinity Determined Photocatalytic Activity: A Comparison between Defective and Bulk Polymeric Carbon Nitride.
- Author
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Deng Q, Han M, Li H, Wang G, Hu W, Feng L, and Hou W
- Abstract
The photoexcited charge separation efficiency of photocatalysts is generally considered as the key factor for enhancement of their photocatalytic activity, and sometimes, their photoabsorption capability and interfacial reaction kinetics play a key part, but the role of interfacial affinity of photocatalysts with substrates was rarely researched systematically. Herein, nitrogen vacancy-modified polymeric carbon nitride porous nanotubes (PCNpts) were simply synthesized, using tartaric acid as a crosslinking and corrosion agent, and exhibit a remarkable increment in surface area, wettability, photoabsorption and charge separation capability, and photocatalytic activity in water splitting to produce H
2 , but, interestingly, exhibit substrate-dependent variation of photoactivity in contaminant degradation, compared with bulk PCN. More interestingly, the interfacial affinity of PCNpts and PCN with contaminants and H2 O, rather than photoabsorption and charge separation capability, is confirmed to dominate their photoactivity.- Published
- 2023
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42. A Robust Droplet Triboelectric Nanogenerator with Self-Cleaning Ability Achieved by Femtosecond Laser.
- Author
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Zhang H, Yin K, Wang L, Deng Q, He Y, Xiao Z, Li G, and Dai G
- Abstract
A droplet triboelectric nanogenerator (TENG) has great potential for harvesting the high entropy energy in water. Despite extensive research, it still suffers from low average power density, poor long-term stability, and insufficient flexibility. Here, a porous micronanostructured polytetrafluoroethylene (PTFE) with superhydrophobicity and self-cleaning ability, is generated by femtosecond laser direct processing. The droplet TENG with laser treated PTFE (LT-PTFE) dielectric layer (L-DTENG) can reach a higher output compared with the droplet TENG with a PTFE dielectric layer (P-DTENG). L-DTENG also demonstrated good long-term stability, self-cleaning ability, and flexibility, making it suitable for various applications, including those involving dust and sewage pollution, as well as bending and pressing conditions. Furthermore, a simulation of finite element method (FEM) and an equivalent circuit model are established to understand the working mechanism of L-DTENG. This multifunctional device and theoretical research provide a smart strategy to generate electricity in a complex environment and lay a solid foundation for droplet TENG applications on a large scale.
- Published
- 2023
- Full Text
- View/download PDF
43. Magnetically Actuated Superhydrophilic Robot Sphere Fabricated by a Femtosecond Laser for Droplet Steering.
- Author
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He Y, Yin K, Wang L, Wu T, Deng Q, Dou Y, and Arnusch CJ
- Abstract
Droplet steering has important applications in biomedical detection, local chemical reactions, liquid collection, and microfluidic control. Presently, droplet steering methods typically require specific paths and can be challenging to operate, involving complex fabrications for the operating systems. Here, we show a magnetically actuated superhydrophilic robot sphere (MSR) based on femtosecond laser direct writing technology for droplet steering. Through femtosecond laser treatment, uniform micro-/nanostructures are constructed on the surface of a MSR. Additionally, the contactless magnetic actuator makes it possible to remotely steer the MSR to transport droplets. After preliminary exploration of the mechanism by which MSR drives the droplet movement, the ability of MSR to control the droplet movement was systematically tested and analyzed. Moreover, the applications of the MSR in complex path liquid collection and transport, three-dimensional space transport, self-cleaning, etc., are further verified. This strategy provides a novel and reliable path for droplet manipulation and broadens its application.
- Published
- 2023
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44. Uncovering the Kinetic Characteristics and Degradation Preference of PROTAC Systems with Advanced Theoretical Analyses.
- Author
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Tang R, Wang Z, Xiang S, Wang L, Yu Y, Wang Q, Deng Q, Hou T, and Sun H
- Abstract
Proteolysis-targeting chimeras (PROTACs), which can selectively induce the degradation of target proteins, represent an attractive technology in drug discovery. A large number of PROTACs have been reported, but due to the complicated structural and kinetic characteristics of the target-PROTAC-E3 ligase ternary interaction process, the rational design of PROTACs is still quite challenging. Here, we characterized and analyzed the kinetic mechanism of MZ1, a PROTAC that targets the bromodomain (BD) of the bromodomain and extra terminal (BET) protein (Brd2, Brd3, or Brd4) and von Hippel-Lindau E3 ligase (VHL), from the kinetic and thermodynamic perspectives of view by using enhanced sampling simulations and free energy calculations. The simulations yielded satisfactory predictions on the relative residence time and standard binding free energy ( r
p > 0.9) for MZ1 in different BrdBD -MZ1-VHL ternary complexes. Interestingly, the simulation of the PROTAC ternary complex disintegration illustrates that MZ1 tends to remain on the surface of VHL with the BD proteins dissociating alone without a specific dissociation direction, indicating that the PROTAC prefers more to bind with E3 ligase at the first step in the formation of the target-PROTAC-E3 ligase ternary complex. Further exploration of the degradation difference of MZ1 in different Brd systems shows that the PROTAC with higher degradation efficiency tends to leave more lysine exposed on the target protein, which is guaranteed by the stability (binding affinity) and durability (residence time) of the target-PROTAC-E3 ligase ternary complex. It is quite possible that the underlying binding characteristics of the BrdBD -MZ1-VHL systems revealed by this study may be shared by different PROTAC systems as a general rule, which may accelerate rational PROTAC design with higher degradation efficiency., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)- Published
- 2023
- Full Text
- View/download PDF
45. Synchronously Producing H 2 and Purifying Methyl Orange-Polluted Water through the Reaction of an Al-GaInSn Alloy Plate and H 2 O.
- Author
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Zhang Z, Liu Y, Gomaa H, Chen Y, Zhao Y, Mumyatov AV, Troshin PA, Deng Q, and Hu N
- Abstract
Hydrogen gas (H
2 ) as a fuel has the advantages of high energy density (122 kJ g-1 ) and zero carbon emissions. To meet the growing demand for H2 in the future, green, efficient, and convenient production technologies must be developed. The Al-H2 O reaction, which produces H2 by reacting aluminum (Al) with water (H2 O), is considered a rapid method for producing H2 . However, Al-H2 O creates a protective oxide layer on the surface of Al, preventing the production of H2 . In this study, we developed a simple method for forming Al-GaInSn alloy by brushing GaInSn-Al2 O3 grease onto an Al plate to form an Al/GaInSn-Al2 O3 /Al sandwich structure. Al2 O3 in the sample supports GaInSn, prevents the leakage of GaInSn, and promotes its penetration into the Al lattice to form Al-GaInSn alloy. By forming a liquid phase within the alloy, GaInSn increases the accessibility of Al to the reaction. As a result, the Al-GaInSn alloy can rapidly react with pure H2 O to produce H2 at room temperature conditions, with yields as high as ∼93.2%. It was interesting to find that dye-polluted water (methyl orange) could be synchronically purified by the Al-H2 O reaction at the same time.- Published
- 2023
- Full Text
- View/download PDF
46. Water-Soluble Synthetic Polymers: Their Environmental Emission Relevant Usage, Transport and Transformation, Persistence, and Toxicity.
- Author
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Wang D, Zheng Y, Deng Q, and Liu X
- Subjects
- Humans, Water Supply, Polymers, Plastics, Water, Water Purification
- Abstract
Water-soluble synthetic polymers (WSPs) are distinct from insoluble plastic particles, which are both critical components of synthetic polymers. In the history of human-made macromolecules, WSPs have consistently portrayed a crucial role and served as the ingredients of a variety of products (e.g., flocculants, thickeners, solubilizers, surfactants, etc.) commonly used in human society. However, the environmental exposures and risks of WSPs with different functions remain poorly understood. This paper provides a critical review of the usage, environmental fate, environmental persistence, and biological consequences of multiple types of WSPs in commercial and industrial production. Investigations have identified a wide market of applications and potential environmental threats of various types of WSPs, but we still lack the suitable assessment tools. The effects of physicochemical properties and environmental factors on the environmental distribution as well as the transport and transformation of WSPs are further summarized. Evidence regarding the degradation of WSPs, including mechanical, thermal, hydrolytic, photoinduced, and biological degradation is summarized, and their environmental persistence is discussed. The toxicity data show that some WSPs can cause adverse effects on aquatic species and microbial communities through intrinsic toxicity and physical hazards. This review may serve as a guide for environmental risk assessment to help develop a sustainable path for WSP management.
- Published
- 2023
- Full Text
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47. BiOIO 3 @Zn 3 (PO 4 ) 2 ·4H 2 O Heterojunction with Fast Ionic Diffusion Kinetics for Long-Life "Rocking-Chair" Zinc Ion Batteries.
- Author
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Qian Y, Li X, Wang H, Song T, Pei Y, Liu L, Wang X, Deng Q, Wu X, and Long B
- Abstract
Increasing insertion host materials are developed as high-performance anodes of "rocking-chair" zinc ion batteries. However, most of them show unsatisfactory rate capabilities. Herein, layered BiOIO
3 is reported as an excellent insertion host and a zinc ion conductor, i.e., Zn3 (PO4 )2 ·4H2 O (ZPO), is introduced to construct a BiOIO3 @ZPO heterojunction with a built-in electric field (BEF). Both ZPO and a BEF obviously enhance Zn2+ transfer and storage, which is proven by theoretical calculations and experimental studies. The conversion-type mechanism of BiOIO3 is revealed through ex situ characterizations. The optimized electrode exhibits a high reversible capacity of 130 mAh g-1 at 0.1 A g-1 , a low average discharge voltage of 0.58 V, an ultrahigh rate performance with 68 mAh g-1 at 5 A g-1 (52% of capacity at 0.1 A g-1 ), and an ultralong cyclic life of 6000 cycles at 5 A g-1 . Significantly, the BiOIO3 @ZPO//Mn3 O4 full cell shows a good cyclic life of 67 mAh g-1 over 1000 cycles at 0.1 A g-1 . This work provides a new insight into the design of anodes with excellent rate capability.- Published
- 2023
- Full Text
- View/download PDF
48. Synthesis of a Novel Spherical-Shell-Structure Polymerized Ionic Liquid Microsphere PILM/Au/Al(OH) 3 Catalyst for Benzyl Alcohol Oxidation.
- Author
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Su Z, Yang C, Deng Q, Zhou Y, Mao C, Fu Z, Zhu C, and Zhang Y
- Abstract
In order to selectively oxidize benzyl alcohol, a novel noble metal catalyst based on polymer ionic liquids with a core-shell structure was created. First, polymer ionic liquid microspheres (PILMs) were prepared by free radical polymerization. Second, the in situ adsorption of Au nanoparticles on the surface of PILMs was accomplished, thanks to the strong electrostatic interaction between N atoms and metal ions on the diazole ring of PILMs. Additionally, the introduction of Al(OH)
3 prevented the aggregation of Au nanoparticles and promoted the catalytic reaction. Finally, the PILM/Au/Al(OH)3 catalyst with a core-shell structure was formed. The effectiveness of the PILM/Au/Al(OH)3 catalyst was assessed by varying the catalyst's type, quantity, amount of Au, amount of H2 O2 , temperature, and reaction time. After five cycles of experiments, the catalyst was effective and reusable. In addition, the potential catalytic mechanism of the catalyst in the oxidation of benzyl alcohol was proposed.- Published
- 2023
- Full Text
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49. Ultrahigh Lubricity between Two-Dimensional Ice and Two-Dimensional Atomic Layers.
- Author
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Thi QH, Man P, Liu H, Huang L, Chen X, Lee CS, Zhao J, Deng Q, Saeed S, and Ly TH
- Abstract
Low temperature and high humidity conditions significantly degrade the performance of solid-state lubricants consisting of van der Waals (vdW) atomic layers, owing to the liquid water layer attached/intercalated to the vdW layers, which greatly enhances the interlayer friction. However, using low temperature in situ atomic force microscopy (AFM) and friction force microscopy (FFM), we unveil the unexpected ultralow friction between two-dimensional (2D) ice, a solid phase of water confined to the 2D space, and the 2D molybdenum disulfides (MoS
2 ). The friction of MoS2 and 2D ice is reduced by more than 30% as compared to bare MoS2 and the rigid surface. The phase transition of liquid water into 2D ice under mechanical compression has also been observed. These new findings can be applied as novel frictionless water/ice transport technology in nanofluidic systems and promising high performance lubricants for operating in low temperature and high humidity environments.- Published
- 2023
- Full Text
- View/download PDF
50. Antibacterial and Antibiofilm Activities of Sertindole and Its Antibacterial Mechanism against Staphylococcus aureus .
- Author
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Tang Y, Zou F, Chen C, Zhang Y, Shen Z, Liu Y, Deng Q, Yu Z, and Wen Z
- Abstract
As methicillin-resistant Staphylococcus aureus has become the most prevalent antibiotic-resistant pathogen in many countries, there is an urgent demand to develop novel antibacterial agents. The purpose of this study is to investigate sertindole's antibacterial and antibiofilm properties, as well as its antibacterial mechanism against S. aureus . The MIC
50 and MIC90 values for sertindole against S. aureus were both determined to be 50 μM, and sertindole significantly reduced S. aureus growth at a subinhibitory concentration of 1/2× MIC. Sertindole also showed remarkable potency in inhibiting the development of biofilms. Additionally, proteomic analysis revealed that sertindole could dramatically decrease the biosynthesis of amino acids and trigger the cell wall stress response and oxidative stress response. A series of tests, including membrane permeability assays, quantitative real-time reverse transcription-PCR, and electron microscope observations, revealed that sertindole disrupts cell integrity. The two-component system VraS/VraR knockout S. epidermis strain also showed enhanced sensitivity to sertindole. Overall, our data suggested that sertindole exhibited antibacterial and biofilm-inhibiting activities against S. aureus and that its antibacterial actions may involve the destruction of cell integrity., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)- Published
- 2023
- Full Text
- View/download PDF
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